1-[(4-tert-butylphenyl)methyl]-3-[[5-(methylsulfonylamino)pyrazin-2-yl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[5-(methylsulfonylamino)pyrazin-2-yl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[5-(methanesulfonamido)pyrazin-2-yl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[5-(methanesulfonamido)-2-pyrazinyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[5-(methanesulfonamido)pyrazin-2-yl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[[5-(methanesulfonamido)pyrazin-2-yl]methyl]thiourea Formula: C18H25N5O2S2 MolecularWeight: 407.5534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CN=C(C=N2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CN=C(C=N2)NS(=O)(=O)C

InChI

InChI=1S/C18H25N5O2S2/c1-18(2,3)14-7-5-13(6-8-14)9-21-17(26)22-11-15-10-20-16(12-19-15)23-27(4,24)25/h5-8,10,12H,9,11H2,1-4H3,(H,20,23)(H2,21,22,26)